6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

C36H41N7O4S — CID 177195472

IUPAC6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCC5(CCN5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C36H41N7O4S/c1-21-7-10-28(45-5)22(2)32(21)47-34-31-26(18-30(40-34)43-15-12-36(13-16-43)11-14-39-36)27(35-42-41-23(3)48-35)20-38-33(31)37-19-24-8-9-25(44-4)17-29(24)46-6/h7-10,17-18,20,39H,11-16,19H2,1-6H3,(H,37,38)
InChIKeySDPNGAVCWUOGTD-UHFFFAOYSA-N
MW667.84 g/mol
LogP6.84
Rot. Bonds10

About 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195472) has the molecular formula C36H41N7O4S and a molecular weight of 667.84 g/mol. Its IUPAC name is 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
PubChem CID177195472
Molecular FormulaC36H41N7O4S
Molecular Weight667.84 g/mol
Exact Mass667.29
IUPAC Name6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCC5(CCN5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C36H41N7O4S/c1-21-7-10-28(45-5)22(2)32(21)47-34-31-26(18-30(40-34)43-15-12-36(13-16-43)11-14-39-36)27(35-42-41-23(3)48-35)20-38-33(31)37-19-24-8-9-25(44-4)17-29(24)46-6/h7-10,17-18,20,39H,11-16,19H2,1-6H3,(H,37,38)
InChIKeySDPNGAVCWUOGTD-UHFFFAOYSA-N
XLogP6.84
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine with MolForge

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Related Compounds

1-N,1-N-bis[(2,4-dimethoxyphenyl)methyl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 135344327
1-N,1-N-bis[(2,4-dimethoxyphenyl)methyl]-3-(4-ethyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 135345360
6-(1,7-Diazaspiro[3.5]nonan-7-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195378
7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
CID 177195382
N-[(2,4-dimethoxyphenyl)methyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195385
3-[[8-Amino-3-(1,7-diazaspiro[3.5]nonan-7-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195395
6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195396
N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 177195415
3-[[8-Amino-3-(1-methylpyrazol-4-yl)-5-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195430
6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195434
3-[[8-Amino-3-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195439
N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-6-(1-methylpiperidin-4-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195451

Frequently Asked Questions

What is the IUPAC name of 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (CID 177195472) is 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is COc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCC5(CCN5)CC4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1.
What is the InChIKey of 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The InChIKey is SDPNGAVCWUOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O4S/c1-21-7-10-28(45-5)22(2)32(21)47-34-31-26(18-30(40-34)43-15-12-36(13-16-43)11-14-39-36)27(35-42-41-23(3)48-35)20-38-33(31)37-19-24-8-9-25(44-4)17-29(24)46-6/h7-10,17-18,20,39H,11-16,19H2,1-6H3,(H,37,38).
What are the key properties of 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine has a molecular weight of 667.84 g/mol, XLogP of 6.84, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).